Basic information
- CAS
55019-68-6- Standard SMILES
CCCCCCCCCC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Br-]- InChIKey
CFULZJWWLMNOED-UHFFFAOYSA-M- Molecular formula
- C28H42BrNO3
- Average molar mass
- 520.5 g/mol
- Monoisotopic mass
- 519.23481
Names & identifiers
- Preferred name
- Ammonium, decyldimethyl(2-hydroxyethyl)-, bromide, benzilate
- IUPAC
- decyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium bromide
Names & synonyms
Decyl-dimethyl(2-hydroxyethyl)ammonium bromide benzilate55019-68-6Benzilsaeure-dimethyl-decyl-ammonium-aethylester-bromide [German]AMMONIUM, DECYLDIMETHYL(2-HYDROXYETHYL)-, BROMIDE, BENZILATEBenzilsaeure-dimethyl-decyl-ammonium-aethylester-bromideRefChem:319198DTXSID40970379N-(2-{[Hydroxy(diphenyl)acetyl]oxy}ethyl)-N,N-dimethyldecan-1-aminium bromideN-(2-{[Hydroxydi(phenyl)acetyl]oxy}ethyl)-N,N-dimethyldecan-1-aminium bromide
Database identifiers
- CAS
55019-68-6- PubChem CID
- 41293
- DTXSID
DTXSID40970379
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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